6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline

Base Information

• Chemical Name: 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline
• CAS No.: 121064-15-1
• Molecular Formula: C14H19NO2
• Molecular Weight: 233.31
• DSSTox Substance ID: DTXSID00385985
• Nikkaji Number: J2.533.024B
• Wikidata: Q82179085
• Mol file: 121064-15-1.mol

Synonyms:6,7-dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline;121064-15-1;6,7-dimethoxy-1,3,3-trimethyl-4H-isoquinoline;CBMicro_022391;ChemDiv1_019947;Oprea1_169307;Oprea1_748829;HMS643K15;DTXSID00385985;CCG-9411;AKOS000671687;BIM-0022286.P001;EU-0035082;AG-690/10255002;SR-01000402265;SR-01000402265-1;1,3,3-Trimethyl-6,7-dimethoxy-3,4-dihydroisoquinoline

Chemical Property of 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline

Chemical Property:

• PSA: 30.82000
• LogP: 2.28310
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(CC2=CC(=C(C=C12)OC)OC)(C)C

Technology Process of 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline

There total 5 articles about 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.0%

1,2-dimethoxybenzene (91-16-7) + isobutyraldehyde (78-84-2) + acetonitrile (75-05-8,26809-02-9) → 1,3,3-trimethyl-6,7-dimethoxy-3,4-dihydroisoquinoline (121064-15-1)

Guidance literature:

With sulfuric acid; at 5 - 10 ℃; for 0.5h;

DOI:10.1002/hc.20049

Reference yield: 47.0%

(6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydro-isoquinolylidene)acetic acid ethyl ester (289054-98-4) → 1,3,3-trimethyl-6,7-dimethoxy-3,4-dihydroisoquinoline (121064-15-1)

Guidance literature:

With water; Heating;

DOI:10.1023/A:1017643703041

Reference yield:

1-(3,4-dimethoxyphenyl)-2-methylpropan-2-ol (23037-61-8) + acetonitrile (75-05-8,26809-02-9) → 1,3,3-trimethyl-6,7-dimethoxy-3,4-dihydroisoquinoline (121064-15-1)

Guidance literature:

With sulfuric acid; acetic acid; In benzene; at 60 ℃; for 0.666667h;

DOI:10.1007/BF00764461

upstream raw materials:

1-(3,4-dimethoxyphenyl)-2-methylpropan-2-ol

acetonitrile

(6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydro-isoquinolylidene)acetic acid ethyl ester

1,2-dimethoxybenzene

Downstream raw materials:

6,7-Dimethoxy-1,2,3,3-tetramethyl-3,4-dihydro-isoquinolinium; iodide

5,5-dimethyl-2,3,5,6-tetrahydro-(3,4-dimethoxybenzo)quinoxalino<2,3-b>indolizine

5,5-dimethyl-8,9-dimethoxy-3-oxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinoline-2-spiro-2'-(3-benzoyl-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole)

(2Z,5Z)-3-hydroxy-5-[3,3-dimethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene]-1-(4-nitrophenyl)pent-2-ene-1,4-dione